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(10S,11R)-Meroditerpene
SpectraBase Compound ID 6P63ASUiR09
InChI InChI=1S/C28H44O5/c1-18(11-13-22-17-24(30)20(3)21(4)27(22)32-7)9-8-10-19(2)12-14-23(29)25-15-16-26(33-25)28(5,6)31/h10-11,17,23,25-26,29-31H,8-9,12-16H2,1-7H3/b18-11+,19-10+/t23-,25?,26+/m0/s1
InChIKey GVSFFWMGDJAXLQ-UERGIUKJSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyUVxF3deVW
Name (10S,11R)-Meroditerpene
Alternate Name(s) 5-{(2E,6E,10S)-10-hydroxy-10-[(5R)-5-(1-hydroxy-1-methylethyl)tetrahydro-2-furanyl]-3,7-dimethyl-2,6-decadienyl}-4-methoxy-2,3-dimethylphenol
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Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-18(11-13-22-17-24(30)20(3)21(4)27(22)32-7)9-8-10-19(2)12-14-23(29)25-15-16-26(33-25)28(5,6)31/h10-11,17,23,25-26,29-31H,8-9,12-16H2,1-7H3/b18-11+,19-10+/t23-,25?,26+/m0/s1
InChIKey GVSFFWMGDJAXLQ-UERGIUKJSA-N
Molecular Weight 460.655 g/mol
SMILES OC([C@@]1(OC([C@](CC\C(=C\CC\C(=C\Cc2c(c(c(c(c2)O)C)C)OC)C)C)(O)[H])CC1)[H])(C)C
SPLASH splash10-0udl-2900000000-cbb6b1d2abbd24bf35f7
Source of Spectrum B-51-1163-11
Wiley ID 746041